| SpectraBase Compound ID | 4UsvgyCaAPA |
|---|---|
| InChI | InChI=1S/C19H26S/c1-2-7-20-18-5-3-17(4-6-18)19-11-14-8-15(12-19)10-16(9-14)13-19/h3-6,14-16H,2,7-13H2,1H3/t14-,15+,16-,19- |
| InChIKey | MZKIBMASXMZRFF-HGYGSNGRSA-N |
| Mol Weight | 286.48 g/mol |
| Molecular Formula | C19H26S |
| Exact Mass | 286.175522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7m9RzUk3ck |
|---|---|
| Name | p-(Adamantyl-1)-N-propylthiobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.175522011 u |
| Formula | C19H26S |
| InChI | InChI=1S/C19H26S/c1-2-7-20-18-5-3-17(4-6-18)19-11-14-8-15(12-19)10-16(9-14)13-19/h3-6,14-16H,2,7-13H2,1H3/t14-,15+,16-,19- |
| InChIKey | MZKIBMASXMZRFF-HGYGSNGRSA-N |
| SMILES | C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])C1=CC=C(C=C1)SCCC)[H] |